UCSF

ZINC08902372

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 36 No

Popular Name: 5-(3,4-diethoxyphenyl)-1-(3-dimethylaminopropyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-pyrrolidine- 5-(3,4-diethoxyphenyl)-1-(3-dime…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.51 11.55 -73.6 1 8 0 93 496.604 13 ↓
Mid Mid (pH 6-8) 2.93 11.77 -49.85 1 8 1 87 497.612 13 ↓
Mid Mid (pH 6-8) 3.96 10.26 -46.82 2 8 1 90 497.612 12 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )